methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylpentanoate Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]-3-methyl-valeric acid methyl ester Formula: C19H27FN2O5S MolecularWeight: 414.491483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H27FN2O5S/c1-4-13(2)17(19(24)27-3)21-18(23)14-9-11-22(12-10-14)28(25,26)16-7-5-15(20)6-8-16/h5-8,13-14,17H,4,9-12H2,1-3H3,(H,21,23)